Geometry & MOs

Info

ID:	353196
PubChem CID:	127284376
Reduced:	O2N3C15H27 (1)
Stoich.:	A2B3C15D27 (1)
Weight, g/mol:	362.177647
ΔH_f, kcal/mol:	-126.59
Dipole, Da:	1.25
IP(EA), eV:	-9.4(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(thiomorpholin-4-ylmethyl)benzoyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC(C1)CC(=O)N2CCCN(CC2)C(=O)N

DOS

IR

Vibrations